Subject: Summary of reviews on de novo drug design

From: I-Jen Chen <[email-masked]>
Date: Fri, 04 Aug 2000 16:34:05 -0400

Hi Robert and fellow CCLers,

Here is the summery regarding de novo drug design articles. Suggestions
>from Professors Kenny Lipkowitz and Don Boyd are greatly appreciated in
this matter.

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Two stellar back-to-back chapters on this topic can be found in Reviews
of Computational Chemistry, Volume 11, Wiley-VCH publishers, 1997,
chapters 1 and 2. This book series provides up to date reviews of the
literature as well as tutorials on various topics for the novice
molecular modeler. These chapters are heavy on the tutorial.

Kenny Lipkowitz
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Hi I-Jen,

An excellent place to start would be these 2 chapters:

M. A. Murcko, in Reviews in Computational Chemistry, K. B. Lipkowitz and
D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 1-66.  Recent
Advances in Ligand Design Methods.

D. E. Clark, C. W. Murray, and J. Li, in Reviews in Computational
Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York,
1997, Vol. 11, pp. 67-125.  Current Issues in De Novo Molecular Design.

Thanks, Don
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I also did some literature search myself. I found some articles with
nice reviews in their introduction sections.

J Med Chem 1993, 36, 1700-1710 by Rotstein and Murcko
J Med Chem 1994, 116, 5560-5571 by Bohacek and McMartin

The most recent review articles discussing on de novo drug design are: 

Encyclopedia of Computational Chemistry 1998, 650-657 by Johnson and
Green; 657-663 by Bohm and Fischer

Pharmacology & Therapeutics 1999, 84, 179-191 by Joseph-McCarthy

Good luck.

ijen
- 

______________________________________________________________________

I-Jen Chen
Department of Pharmaceutical Sciences
University of Maryland, Baltimore
Phone : US-410-706-7441
Fax   : US-410-706-0346
E-mail: [email-masked]
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